5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2,4,6-trimethylphenyl)furan-2-carboxamide

C28H28FN3O2 — CID 53115226

IUPAC5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2,4,6-trimethylphenyl)furan-2-carboxamide
SMILESCc1cc(C)c(NC(=O)c2ccc(-c3c(-c4ccc(F)cc4)ncn3C3CCCC3)o2)c(C)c1
InChIInChI=1S/C28H28FN3O2/c1-17-14-18(2)25(19(3)15-17)31-28(33)24-13-12-23(34-24)27-26(20-8-10-21(29)11-9-20)30-16-32(27)22-6-4-5-7-22/h8-16,22H,4-7H2,1-3H3,(H,31,33)
InChIKeyBPHRYFYZZXLBST-UHFFFAOYSA-N
MW457.55 g/mol
LogP7.24
Rot. Bonds5

About 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2,4,6-trimethylphenyl)furan-2-carboxamide

5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2,4,6-trimethylphenyl)furan-2-carboxamide (PubChem CID 53115226) has the molecular formula C28H28FN3O2 and a molecular weight of 457.55 g/mol. Its IUPAC name is 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2,4,6-trimethylphenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2,4,6-trimethylphenyl)furan-2-carboxamide
PubChem CID53115226
Molecular FormulaC28H28FN3O2
Molecular Weight457.55 g/mol
Exact Mass457.22
IUPAC Name5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2,4,6-trimethylphenyl)furan-2-carboxamide
SMILESCc1cc(C)c(NC(=O)c2ccc(-c3c(-c4ccc(F)cc4)ncn3C3CCCC3)o2)c(C)c1
InChIInChI=1S/C28H28FN3O2/c1-17-14-18(2)25(19(3)15-17)31-28(33)24-13-12-23(34-24)27-26(20-8-10-21(29)11-9-20)30-16-32(27)22-6-4-5-7-22/h8-16,22H,4-7H2,1-3H3,(H,31,33)
InChIKeyBPHRYFYZZXLBST-UHFFFAOYSA-N
XLogP7.24
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.55
LogP ≤ 57.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2,4,6-trimethylphenyl)furan-2-carboxamide?
The IUPAC name of 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2,4,6-trimethylphenyl)furan-2-carboxamide (CID 53115226) is 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2,4,6-trimethylphenyl)furan-2-carboxamide.
What is the SMILES notation for 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2,4,6-trimethylphenyl)furan-2-carboxamide?
The canonical SMILES for 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2,4,6-trimethylphenyl)furan-2-carboxamide is Cc1cc(C)c(NC(=O)c2ccc(-c3c(-c4ccc(F)cc4)ncn3C3CCCC3)o2)c(C)c1.
What is the InChIKey of 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2,4,6-trimethylphenyl)furan-2-carboxamide?
The InChIKey is BPHRYFYZZXLBST-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28FN3O2/c1-17-14-18(2)25(19(3)15-17)31-28(33)24-13-12-23(34-24)27-26(20-8-10-21(29)11-9-20)30-16-32(27)22-6-4-5-7-22/h8-16,22H,4-7H2,1-3H3,(H,31,33).
What are the key properties of 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2,4,6-trimethylphenyl)furan-2-carboxamide?
5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2,4,6-trimethylphenyl)furan-2-carboxamide has a molecular weight of 457.55 g/mol, XLogP of 7.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2,4,6-trimethylphenyl)furan-2-carboxamide is sourced from PubChem (CID 53115226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).